CID 64961

9h-pyrido[3,4-b]indole

Structural Information

Molecular Formula
C11H8N2
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=NC=C3
InChI
InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
InChIKey
AIFRHYZBTHREPW-UHFFFAOYSA-N
Compound name
9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

717
References

31828
Patents

168.06874 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07602 131.7
[M+Na]+ 191.05796 142.8
[M-H]- 167.06146 133.9
[M+NH4]+ 186.10256 153.0
[M+K]+ 207.03190 137.5
[M+H-H2O]+ 151.06600 124.8
[M+HCOO]- 213.06694 153.6
[M+CH3COO]- 227.08259 145.7
[M+Na-2H]- 189.04341 142.2
[M]+ 168.06819 131.7
[M]- 168.06929 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe